CID 51060153

4-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C28H20ClIN2O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)I
InChI
InChI=1S/C28H20ClIN2O4/c29-22-11-5-20(6-12-22)18-35-23-15-9-21(10-16-23)27(33)32-31-17-19-7-13-24(14-8-19)36-28(34)25-3-1-2-4-26(25)30/h1-17H,18H2,(H,32,33)/b31-17+
InChIKey
ZKZCPEKSDYGSMA-KBVAKVRCSA-N
Compound name
[4-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.0156 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.02288 235.3
[M+Na]+ 633.00482 233.2
[M-H]- 609.00832 239.9
[M+NH4]+ 628.04942 236.8
[M+K]+ 648.97876 232.9
[M+H-H2O]+ 593.01286 219.1
[M+HCOO]- 655.01380 249.3
[M+CH3COO]- 669.02945 249.1
[M+Na-2H]- 630.99027 224.2
[M]+ 610.01505 236.6
[M]- 610.01615 236.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.